8014-2001 Screening compound: 6,8-dichloro-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide

8014-2001 Screening compound: 6,8-dichloro-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide
8014-2001 Screening compound: 6,8-dichloro-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2001
6,8-dichloro-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8014-2001

Molecular Formula

C21H15Cl2FN2O3 (C21 H15 Cl2 FN2 O3)

Compound Name

6,8-dichloro-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide

IUPAC name

68-dichloro-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide

SMILES

Cc1c(CCNC(C2=Cc3cc(Cl)cc(Cl)c3OC2=O)=O)c(cc(cc2)F)c2[nH]1

InChI

InChI=1S/C21H15Cl2FN2O3/c1-10-14(15-9-13(24)2-3-18(15)26-10)4-5-25-20(27)16-7-11-6-12(22)8-17(23)19(11)29-21(16)28/h2-3,6-9,26H,4-5H2,1H3,(H,25,27)

InChI Key

WNNCEYRWSCPPQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.499

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.61

Polar Surface Area

55.025

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 8014-2001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2001?
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What is the minimum amount of 8014-2001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2001
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8014-2001 available by request